N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide

C19H24N2O3S2 — CID 53067981

IUPACN-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1C
InChIInChI=1S/C19H24N2O3S2/c1-14-6-7-16(12-15(14)2)20-26(23,24)19-9-8-17(25-19)13-18(22)21-10-4-3-5-11-21/h6-9,12,20H,3-5,10-11,13H2,1-2H3
InChIKeyCFXAJQWTKQVXCA-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.72
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide

N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 53067981) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID53067981
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1C
InChIInChI=1S/C19H24N2O3S2/c1-14-6-7-16(12-15(14)2)20-26(23,24)19-9-8-17(25-19)13-18(22)21-10-4-3-5-11-21/h6-9,12,20H,3-5,10-11,13H2,1-2H3
InChIKeyCFXAJQWTKQVXCA-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 53067986
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067911
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
2-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-pyrrolidin-1-ylethanone
CID 53067924
2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067977
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide (CID 53067981) is N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is CFXAJQWTKQVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-6-7-16(12-15(14)2)20-26(23,24)19-9-8-17(25-19)13-18(22)21-10-4-3-5-11-21/h6-9,12,20H,3-5,10-11,13H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 392.55 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53067981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).